N-(4-amino-6-chloro-1,3,5-triazin-2-yl)-4-methylbenzenesulfonamide

C10H10ClN5O2S — CID 110190709

IUPACN-(4-amino-6-chloro-1,3,5-triazin-2-yl)-4-methylbenzenesulfonamide
SMILESCc1ccc(S(=O)(=O)Nc2nc(N)nc(Cl)n2)cc1
InChIInChI=1S/C10H10ClN5O2S/c1-6-2-4-7(5-3-6)19(17,18)16-10-14-8(11)13-9(12)15-10/h2-5H,1H3,(H3,12,13,14,15,16)
InChIKeyNQKGATZVKUVACA-UHFFFAOYSA-N
MW299.74 g/mol
LogP1.22
Rot. Bonds3

About N-(4-amino-6-chloro-1,3,5-triazin-2-yl)-4-methylbenzenesulfonamide

N-(4-amino-6-chloro-1,3,5-triazin-2-yl)-4-methylbenzenesulfonamide (PubChem CID 110190709) has the molecular formula C10H10ClN5O2S and a molecular weight of 299.74 g/mol. Its IUPAC name is N-(4-amino-6-chloro-1,3,5-triazin-2-yl)-4-methylbenzenesulfonamide.

Molecular Properties

Compound NameN-(4-amino-6-chloro-1,3,5-triazin-2-yl)-4-methylbenzenesulfonamide
PubChem CID110190709
Molecular FormulaC10H10ClN5O2S
Molecular Weight299.74 g/mol
Exact Mass299.02
IUPAC NameN-(4-amino-6-chloro-1,3,5-triazin-2-yl)-4-methylbenzenesulfonamide
SMILESCc1ccc(S(=O)(=O)Nc2nc(N)nc(Cl)n2)cc1
InChIInChI=1S/C10H10ClN5O2S/c1-6-2-4-7(5-3-6)19(17,18)16-10-14-8(11)13-9(12)15-10/h2-5H,1H3,(H3,12,13,14,15,16)
InChIKeyNQKGATZVKUVACA-UHFFFAOYSA-N
XLogP1.22
TPSA110.86 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.74
LogP ≤ 51.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

4-[(4-chlorophenyl)sulfonylamino]-N-(4-methylphenyl)benzenesulfonamide
CID 3719852
N-[4-chloro-6-(4-chlorophenyl)-5-cyanopyrimidin-2-yl]-4-methylbenzenesulfonamide
CID 172636375
2-[(4-amino-6-chloro-1,3,5-triazin-2-yl)amino]-5-methylbenzenesulfonic acid
CID 20658967
N-(4-chlorophenyl)sulfonyl-4-methylbenzenesulfonamide
CID 10593652
N-(3-chloro-5-methylphenyl)-4-methylbenzenesulfonamide
CID 54422593
N-(5-bromopyrimidin-2-yl)-4-methylbenzenesulfonamide
CID 11001969
N-(4,7-dichloro-1,3-benzothiazol-2-yl)-4-methylbenzenesulfonamide
CID 16934005
4-amino-N-(4,6-dimethylpyrimidin-2-yl)benzenesulfonamide;sulfuric acid
CID 21393658
4-chloro-N-(4-methylpyrimidin-2-yl)benzenesulfonamide
CID 6465342
N-(4-amino-2-chloro-6-methylphenyl)-4-methylbenzenesulfonamide
CID 100828237
N-(4-amino-2,5-dichlorophenyl)-4-methylbenzenesulfonamide
CID 3637630
2-[(4-amino-6-chloro-1,3,5-triazin-2-yl)amino]-4-(methylsulfamoyl)benzenesulfonic acid
CID 89318529

Frequently Asked Questions

What is the IUPAC name of N-(4-amino-6-chloro-1,3,5-triazin-2-yl)-4-methylbenzenesulfonamide?
The IUPAC name of N-(4-amino-6-chloro-1,3,5-triazin-2-yl)-4-methylbenzenesulfonamide (CID 110190709) is N-(4-amino-6-chloro-1,3,5-triazin-2-yl)-4-methylbenzenesulfonamide.
What is the SMILES notation for N-(4-amino-6-chloro-1,3,5-triazin-2-yl)-4-methylbenzenesulfonamide?
The canonical SMILES for N-(4-amino-6-chloro-1,3,5-triazin-2-yl)-4-methylbenzenesulfonamide is Cc1ccc(S(=O)(=O)Nc2nc(N)nc(Cl)n2)cc1.
What is the InChIKey of N-(4-amino-6-chloro-1,3,5-triazin-2-yl)-4-methylbenzenesulfonamide?
The InChIKey is NQKGATZVKUVACA-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10ClN5O2S/c1-6-2-4-7(5-3-6)19(17,18)16-10-14-8(11)13-9(12)15-10/h2-5H,1H3,(H3,12,13,14,15,16).
What are the key properties of N-(4-amino-6-chloro-1,3,5-triazin-2-yl)-4-methylbenzenesulfonamide?
N-(4-amino-6-chloro-1,3,5-triazin-2-yl)-4-methylbenzenesulfonamide has a molecular weight of 299.74 g/mol, XLogP of 1.22, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-amino-6-chloro-1,3,5-triazin-2-yl)-4-methylbenzenesulfonamide is sourced from PubChem (CID 110190709), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).